Mulberrofuran Q

Properties Image MNX_ID MNXM128212 reference chebi:186920 formula C34H24O10 global charge 0 mol weight 592.556 InChIKey MSVXRBNAPJJEDX-UHFFFAOYSA-N InChI InChI=1S/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3 SMILES CC12CC(C3=C(C=C(O)C=C3)O1)C13OC1(C1=C(O)C=C(O)C=C1)OC1=C(C(O)=CC(C4=CC5=C(C=C(O)C=C5)O4)=C1)C3C2=O MNX internals InChI (mnx) InChI=1/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3/t22?,30?,32?,33?,34? SMILES (mnx) [CH3:1][C:32]12[CH2:14][CH:22]([C:20]3=[CH:6][CH:4]=[C:19]([OH:37])[CH:13]=[C:27]3[O:42]1)[C:33]13[CH:30]([C:29]4=[C:24]([OH:39])[CH:8]=[C:16]([C:25]5=[CH:9][C:15]6=[CH:2][CH:3]=[C:18]([OH:36])[CH:12]=[C:26]6[O:41]5)[CH:10]=[C:28]4[O:43][C:34]1([C:21]1=[C:23]([OH:38])[CH:11]=[C:17]([OH:35])[CH:5]=[CH:7]1)[O:44]3)[C:31]2=[O:40]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0